General Information of the Compound
| Compound ID |
CP0199314
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[6-[2-(3-pyridin-4-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19N5O2S
|
||||||||||||||||||
| Molecular Weight |
405.483
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(OCCCc2ccncc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19N5O2S/c1-14(27)24-21-26-18-5-4-16(13-19(18)29-21)17-8-11-23-20(25-17)28-12-2-3-15-6-9-22-10-7-15/h4-11,13H,2-3,12H2,1H3,(H,24,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VTERDVKFXDWFLS-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound